Bonding elucidation of the three common acids H2so4, HNO3, and HCIO4

Journal of Physical Chemistry A

Volumn 113, Issue 50, 2009, Pages 13972-13975

  Kalemos, Apostolos ^a   Mavridis, Aristides ^a  

^a UNIVERSITY OF ATHENS   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

BONDING NATURE; CENTRAL ATOM; COUPLED CLUSTERS; ELECTRON PAIR DENSITY; FIRST EXCITED STATE; OXYGEN ATOM;

ACIDS; ATOMS; OXYGEN;

SULFURIC ACID;

EID: 72649100668     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp906294d     Document Type: Article

References (37)

1. Kuczkowski, R. L.; Suenram, R. D.; Lovas, F. J. J. Am. Chem. Soc. 1981, 103, 2561, and references therein.
2. Ghosh, P. N.; Blom, C. E.; Bauder, A. J. Mol. Spectrose. 1981, 89, 159, and references therein.
3. Casper, B.; Mack, H.-G.; Müller, H. S. P.; Willner, H.; Oberhammer, H. J. Phys. Chem. 1994, 98, 8339, and references therein.
4. Pascard-Billy, C. Acta Crustallogr. 1963, 18, 827.
5. Keemnitz, E.; Werner, C.; Trojanov, S. Acta Crystallogr. 1966, C52, 1996.
6. Moodenbaugh, A. R.; Hartt, J. E.; Hurst, J. J.; Youngblood, R. W.; Cox, D. E.; Frazer, B. C. Phys. Rev. B 1983, 28, 3501.
7. Hayey, D. K.; Feierabend, K. J.; Vaida, V. J. Mol. Struct. (THEOCHEM) 2004, 680, 24.
8. Forsythe, W. R.; Giauque, W. F. J. Am. Chem. Soc. 1942, 64, 48.
9. Cohn, H.; Ingold, C. K.; Poole, H. G. J. Chem. Soc 1952, 4272;
10. J. Chem. Phys. 1956, 24, 162.
11. Palm, A.; Kilpatrick, M. J. Chem.. Phys. 1955, 23, 1562.
12. Milien, D. J.; Morton, J. R. Chem. Ind. N. Y. 1956, 945;
13. J. Chem. Soc. 1960, 1523.
14. Cox, A. P.; Riveros, J. M. J. Chem. Phys. 1965, 42, 3106.
15. Kaushik, V. K.; Venkateswarlu, P. Chem. Phys. Lett. 1977, 48, 115.
16. Cazzoli, G.; DeLucia, F. C. J. Mol. Spectrosc. 1979, 76, 131.
17. Cox, A. P.; Ellis, M. C.; Attfield, C. J.; Ferris, A. C. J. Mol. Struct. 1994, 320, 91.
18. Oh, J. J.; Drouin, B. J.; Cohen, E. A. J. Mol. Spectrose. 2005, 234, 10 See also ref 14 of ref 3.
19. Demaison, J.; Herman, M.; Liévin, J.; Rudolph, H. D. J. Phys. Chem. A 2007, 111, 2602.
20. Gutle, C.; Demaison, J.; Rudolph, H. D. J. Mol. Spectrose. 2009, 254, 99.
21. Martin, J. M. L. J. Mol. Struct. (THEOCHEM) 2006, 771,19.
22. Boese, A. D.; Martin, J. M. L. J. Mol. Struct. 2006, 780, 310.
23. Feierabend, K. J.; Havey, D. K.; Varner, E. M.; Stanton, J. F.; Vaida, V. J. Chem. Phys. 2006, 124, 124323.
24. Petrucci, R. H.; Harwood, W. S.; Herring, F. G.; Madura, J. D. General Chemistry. Principles and Modem Applications, 9th ed.; Pearson Prentice Hall: Englewood Cliffs, NJ, 2007; pp 460-461.
25. Pauling, L. The Nature of the Chemical Bond, 3rd. ed.; Cornell University Press: Ithaca, NY, 1960; p 557.
26. Woon, D. E.; Dunning, T. H., Jr. J. Phys. Chem A 2009. 113, 7915.
27. Musher, J. I. Aneew. Chem. Int. Ed. 1969, 8, 54.
28. Encyclopedia Britannica; 1971; Vol.16, p 858.
29. Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479.
30. Bartlett, R. J.; Watts, J. D.; Kucharski, S. A.; Noga, J. Chem. Phys. Lett. 1990, 165, 513;
31. Bartlett, R. J.; Watts, J. D.; Kucharski, S. A.; Noga, J. Chem. Phys. Lett. 1990, 167, 609E.
32. Knowles, P. J.; Humpel, C.; Werner, H.-J. J. Chem. Phys. 1993, 99, 5219;
33. Knowles, P. J.; Humpel, C.; Werner, H.-J. J. Chem. Phys. 2000, 112, 3106E.
34. Dunning, T. H., Jr.; Peterson, K. A.; Wilson, A. K. J. Chem. Phys. 2001, 114, 9244.
35. Dunning, T. H., Jr. J. Chem. Phys. 1989, 90, 1007.
36. Werner, H.-J.; Knowles, P. J.; Lindh, R.; Manby, F. R.; Schütz, M.; Celani, P.; Korona, T.; Mitrushenkov, A.; Rauhut, G.; Adler, T. B.; Amos, R. D.; Bernhardsson, A.; Berning, A.; Cooper, D. L.; Deegan, M. J. O.; Dobbyn, A. J.; Eckert, F.; Goll, E.;Hampel, C.; Hetzer, G.; Hrenar, T.; Knizia, G.; Köppl, C.; Liu, Y.; Lloyd, A. W.; Mata, R. A.; May, A. J.; McNicholas, S. J.; Meyer, W.; Mura, M. E.; Nicklass, A.; Palmieri, P.; Pflüger, K.; Pitzer, R.; Reiher, M.; Schumann, U.; Stoll, H.; Stone, A. J.; Tarroni, R.; Thorsteinsson, T.; Wang, M. Wolf, A. MOLPRO, version 2006.1, a package of ab initio programs, see http://www.molpro.net.
37. Ralchenko, Y.; Kramida, A. E.; Reader, J.; NIST ASD Team. NIST Atomic Spectra Database (version 3.1.5)National Institute of Standards and Technology: Gaithersburg, MD, 2008; http://physics.nist.gov/asd3.